2-[3-cyano-4-(propan-2-ylideneamino)oxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(propan-2-ylideneamino)oxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-[3-cyano-4-(isopropylideneamino)oxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-[3-cyano-4-(propan-2-ylideneamino)oxyphenyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(propan-2-ylideneamino)oxyphenyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-[3-cyano-4-(isopropylideneamino)oxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)ON=C(C)C)C#N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)ON=C(C)C)C#N

InChI

InChI=1S/C15H14N4O3/c1-9(2)18-22-14-5-4-12(7-11(14)8-16)19-13(15(20)21)6-10(3)17-19/h4-7H,1-3H3,(H,20,21)